SCHEMBL31602017

SCHEMBL31602017

CCCCC(CCCC)COCCO

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
CYP3A4 P08684 3/20 0.53
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31602043 0.96 TSHR (0.50) TSHRCYP3A4HTTMEN1THRB
SCHEMBL25753062 0.96 TSHR (0.56) TSHRCYP3A4HTTMEN1THRB
SCHEMBL31602052 0.96 CYP3A4 (0.50) TSHRCYP3A4HTTMEN1THRB
SCHEMBL23640400 0.94 HTT (0.53) TSHRCYP3A4HTTMEN1THRB
SCHEMBL25757744 0.94 HTT (0.53) TSHRCYP3A4HTTMEN1THRB
SCHEMBL25757738 0.94 TSHR (0.52) TSHRCYP3A4HTTMEN1THRB
SCHEMBL31601885 0.92 TSHR (0.52) TSHRCYP3A4HTTMEN1THRB
SCHEMBL31601718 0.92 MEN1 (0.57) TSHRCYP3A4HTTMEN1THRB
SCHEMBL33532 0.92 CYP3A4 (0.65) TSHRCYP3A4HTTMEN1THRB
SCHEMBL18309374 0.92 MEN1 (0.55) TSHRCYP3A4HTTMEN1THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120065654-A Aqueous developer composition for flexographic printing plate and method for producing flexographic printing plate 旭化成株式会社 2025-05-30 CN disclosed